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1-(cyclohexylmethyl)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-amine

ChemBase ID: 340156
Molecular Formular: C21H30N4O
Molecular Mass: 354.4891
Monoisotopic Mass: 354.2419616
SMILES and InChIs

SMILES:
n1c(noc1CNC1CN(CC2CCCCC2)CCC1)c1ccccc1
Canonical SMILES:
C1CCC(CC1)CN1CCCC(C1)NCc1onc(n1)c1ccccc1
InChI:
InChI=1S/C21H30N4O/c1-3-8-17(9-4-1)15-25-13-7-12-19(16-25)22-14-20-23-21(24-26-20)18-10-5-2-6-11-18/h2,5-6,10-11,17,19,22H,1,3-4,7-9,12-16H2
InChIKey:
LOUPIGUGVHYMBO-UHFFFAOYSA-N

Cite this record

CBID:340156 http://www.chembase.cn/molecule-340156.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-(cyclohexylmethyl)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-amine
IUPAC Traditional name
1-(cyclohexylmethyl)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-amine
Synonyms
1-(cyclohexylmethyl)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-3-piperidinamine

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 13831343 external link Add to cart
Data Source Data ID Price
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
H Acceptors H Donor
LogD (pH = 5.5) 0.95773  LogD (pH = 7.4) 2.5839922 
Log P 4.2902155  Molar Refractivity 115.6355 cm3
Polarizability 41.26335 Å3 Polar Surface Area 54.19 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 4.56  LOG S -3.46 
Polar Surface Area 54.19 Å2 Rotatable Bonds

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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